2-Amino-5-chlorobenzonitrile

• CAS: 5922-60-1
• Catalog Number: ACM5922601
• Category: Solvents
• Molecular Weight: 152.58
• Molecular Formula: H2NC6H3(Cl)CN
• Description: The vibrational spectra of 2-amino-5-chlorobenzonitrile was studied using density functinal theory.
• Synonyms: 5-Chloroanthranilonitrile
• Canonical SMILES: Nc1ccc(Cl)cc1C#N
• InChI: 1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
• InChI Key: QYRDWARBHMCOAG-UHFFFAOYSA-N
• Boiling Point: 290.9±25.0 °C at 760 mmHg
• Melting Point: 96-99 °C(lit.)
• Flash Point: 129.7±23.2 °C
• Density: 1.3±0.1 g/cm³
• Application: 2-Amino-5-chlorobenzonitrile was used to build up the 2,2-dioxide-1H-2,1,3-benzothiadiazine ring system.
• Assay: 0.98
• Color: Pale yellow to cream
• EC Number: 227-651-5
• Exact Mass: 152.01413
• Form: Powder
• Hazard Codes: Xn:Harmful
• Hazard Statements: H302 + H312 + H332-H315-H319-H335
• LogP: 2.32
• MDL Number: MFCD00017106
• NACRES: NA.22
• PSA: 49.81
• PubChem ID: 24850479
• Refractive Index: 1.61
• Vapor Pressure: 0.0±0.6 mmHg at 25°C
• WGK Germany: 3